5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide

C17H22N2O — CID 65310176

IUPAC5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C#CCN)ccc1C)C1CC1
InChIInChI=1S/C17H22N2O/c1-3-11-19(15-8-9-15)17(20)16-12-14(5-4-10-18)7-6-13(16)2/h6-7,12,15H,3,8-11,18H2,1-2H3
InChIKeyNVAGOHGQPIKVPH-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.32
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide

5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide (PubChem CID 65310176) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
PubChem CID65310176
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C#CCN)ccc1C)C1CC1
InChIInChI=1S/C17H22N2O/c1-3-11-19(15-8-9-15)17(20)16-12-14(5-4-10-18)7-6-13(16)2/h6-7,12,15H,3,8-11,18H2,1-2H3
InChIKeyNVAGOHGQPIKVPH-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102868159
3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 60822484
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbenzamide
CID 65310599
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311329
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
CID 81112858
5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide
CID 65311356
5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide
CID 79482914
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
5-(3-aminoprop-1-ynyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzamide
CID 65310832
5-(3-aminoprop-1-ynyl)-2-methyl-N-(oxan-4-yl)benzamide
CID 65310974

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide (CID 65310176) is 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide is CCCN(C(=O)c1cc(C#CCN)ccc1C)C1CC1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide?
The InChIKey is NVAGOHGQPIKVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-11-19(15-8-9-15)17(20)16-12-14(5-4-10-18)7-6-13(16)2/h6-7,12,15H,3,8-11,18H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide?
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide has a molecular weight of 270.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide is sourced from PubChem (CID 65310176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).